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Tetra-imidazolium piperazinediium bis-(benzene-1,3,5-tricarboxyl-ate) dihydrate.

ABSTRACT: During the crystallization of the title compound, 4C(3)H(5)N(2) (+)·C(4)H(12)N(2) (+)·2C(9)H(3)O(6) (3-)·2H(2)O, the acidic protons were transferred to the imidazole and piperazine N atoms, forming the final 4:1:2:2 hydrated mixed salt. The mean planes of the three carboxyl-ate groups in the anion are twisted with respect to the the central benzene ring, making dihedral angles of 13.5?(1), 14.5?(1) and 16.9?(1)°. In the crystal, the component ions are linked into a three-dimensional network by a combination of inter-molecular N-H?O, O-H?O and weak C-H?O hydrogen bonds. Further stabilization is provided by ?-? stacking inter-actions with centroid-centroid distances of 3.393?(2)?Å and weak C=O?? inter-actions [O-centroid = 3.363?(2)?Å].

SUBMITTER: Liu PX

PROVIDER: S-EPMC3009064 | biostudies-literature | 2010

REPOSITORIES: biostudies-literature

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Tetra-imidazolium piperazinediium bis-(benzene-1,3,5-tricarboxyl-ate) dihydrate.

Liu Ping-Xian PX Li Zhi-An ZA Chen Dao-Yong DY

Acta crystallographica. Section E, Structure reports online 20101023 Pt 11

During the crystallization of the title compound, 4C(3)H(5)N(2) (+)·C(4)H(12)N(2) (+)·2C(9)H(3)O(6) (3-)·2H(2)O, the acidic protons were transferred to the imidazole and piperazine N atoms, forming the final 4:1:2:2 hydrated mixed salt. The mean planes of the three carboxyl-ate groups in the anion are twisted with respect to the the central benzene ring, making dihedral angles of 13.5 (1), 14.5 (1) and 16.9 (1)°. In the crystal, the component ions are linked into a three-dimensional network by a ...[more]

PMID: 21589077

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